The Journal of Chemical Physics

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American Institute of Physics
 
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  • 2019 | Journal Article | Research Paper
    ​ ​Inelastic H and D atom scattering from Au(111) as benchmark for theory​
    Jiang, H.; Dorenkamp, Y.; Krüger, K. & Bünermann, O. ​ (2019) 
    The Journal of Chemical Physics, 150(18) pp. 184704​.​ DOI: https://doi.org/10.1063/1.5094693 
    ​Details  DOI 
  • 2018 | Journal Article | Research Paper
    ​ ​Blurring out hydrogen: The dynamical structure of teflic acid​
    Herbers, S.; Obenchain, D. A. ; Kraus, P.; Wachsmuth, D. & Grabow, J.-U.​ (2018) 
    The Journal of Chemical Physics, 148(19) pp. 194307​.​ DOI: https://doi.org/10.1063/1.5027487 
    ​Details  DOI  PMID  PMC 
  • 2018 | Journal Article | Research Paper
    ​ ​Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption​
    Dorenkamp, Y.; Jiang, H.; Köckert, H.; Hertl, N.; Kammler, M.; Janke, S. M. & Kandratsenka, A. et al.​ (2018) 
    The Journal of Chemical Physics, 148(3) pp. 034706​.​ DOI: https://doi.org/10.1063/1.5008982 
    ​Details  DOI 
  • 2018 | Journal Article | Research Paper
    ​ ​Role of translational entropy in spatially inhomogeneous, coarse-grained models​
    Langenberg, M.; Jackson, N. E.; de Pablo, J. J. & Müller, M. ​ (2018) 
    The Journal of Chemical Physics, 148(9) pp. 094112​.​ DOI: https://doi.org/10.1063/1.5018178 
    ​Details  DOI 
  • 2017 | Journal Article | Research Paper
    ​ ​Connecting structurally and dynamically detected signatures of supramolecular Debye liquids​
    Büning, T.; Lueg, J.; Bolle, J.; Sternemann, C.; Gainaru, C.; Tolan, M.   & Böhmer, R.​ (2017) 
    The Journal of Chemical Physics, 147(23) art. 234501​.​ DOI: https://doi.org/10.1063/1.4986866 
    ​Details  DOI  PMID  PMC 
  • 2017 | Journal Article | Research Paper
    ​ ​The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2-AuCl​
    Obenchain, D. A. ; Frank, D. S.; Grubbs, G. S.; Pickett, H. M. & Novick, S. E.​ (2017) 
    The Journal of Chemical Physics, 146(20) pp. 204302​.​ DOI: https://doi.org/10.1063/1.4983042 
    ​Details  DOI  PMID  PMC 
  • 2017 | Journal Article | Research Paper
    ​ ​Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program​
    Feldt, J.; Miranda, S.; Pratas, F.; Roma, N.; Tomás, P. & Mata, R. A. ​ (2017) 
    The Journal of Chemical Physics, 147(24) art. 244105​.​ DOI: https://doi.org/10.1063/1.5009820 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | Research Paper
    ​ ​The position of deuterium in HOD-NNO as determined by structural and nuclear quadrupole coupling constants​
    Obenchain, D. A. ; Frank, D. S.; Novick, S. E. & Klemperer, W.​ (2015) 
    The Journal of Chemical Physics, 143(8) art. 084301​.​ DOI: https://doi.org/10.1063/1.4928687 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | Research Paper
    ​ ​An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption​
    Janke, S. M.; Auerbach, D. J.; Wodtke, A. M.   & Kandratsenka, A.​ (2015) 
    The Journal of Chemical Physics, 143(12) art. 124708​.​ DOI: https://doi.org/10.1063/1.4931669 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | Research Paper
    ​ ​High-order sampling schemes for path integrals and Gaussian chain simulations of polymers​
    Mueser, M. H. & Mueller, M.​ (2015) 
    The Journal of Chemical Physics, 142(17) art. UNSP 174105​.​ DOI: https://doi.org/10.1063/1.4919311 
    ​Details  DOI  PMID  PMC  WoS 
  • 2014 | Journal Article | Research Paper
    ​ ​Intermolecular interactions in highly concentrated protein solutions upon compression and the role of the solvent​
    Grobelny, S.; Erlkamp, M.; Möller, J.; Tolan, M.   & Winter, R.​ (2014) 
    The Journal of Chemical Physics, 141(22) art. 22D506​.​ DOI: https://doi.org/10.1063/1.4895542 
    ​Details  DOI  PMID  PMC 
  • 2014 | Journal Article | Research Paper
    ​ ​H₂-AgCl: a spectroscopic study of a dihydrogen complex​
    Grubbs, G. S.; Obenchain, D. A. ; Pickett, H. M. & Novick, S. E.​ (2014) 
    The Journal of Chemical Physics, 141(11) pp. 114306​.​ DOI: https://doi.org/10.1063/1.4895904 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article | Research Paper
    ​ ​Microwave, infrared and Raman spectra, r0 structural parameters, ab initio calculations and vibrational assignment of 1-fluoro-1-silacyclopentane​
    Durig, J. R.; Panikar, S. S.; Obenchain, D. A. ; Bills, B. J.; Lohan, P. M.; Peebles, R. A. & Peebles, S. A. et al.​ (2012) 
    The Journal of Chemical Physics, 136(4) art. 044306​.​ DOI: https://doi.org/10.1063/1.3673889 
    ​Details  DOI  PMID  PMC 

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